2-azido-1,5-dibromo-3-methyl-4-nitrobenzene

C7H4Br2N4O2 — CID 169325406

IUPAC2-azido-1,5-dibromo-3-methyl-4-nitrobenzene
SMILESCc1c(N=[N+]=[N-])c(Br)cc(Br)c1[N+](=O)[O-]
InChIInChI=1S/C7H4Br2N4O2/c1-3-6(11-12-10)4(8)2-5(9)7(3)13(14)15/h2H,1H3
InChIKeyAJRLRRFJWVHQKC-UHFFFAOYSA-N
MW335.94 g/mol
LogP4.37
Rot. Bonds2

About 2-azido-1,5-dibromo-3-methyl-4-nitrobenzene

2-azido-1,5-dibromo-3-methyl-4-nitrobenzene (PubChem CID 169325406) has the molecular formula C7H4Br2N4O2 and a molecular weight of 335.94 g/mol. Its IUPAC name is 2-azido-1,5-dibromo-3-methyl-4-nitrobenzene.

Molecular Properties

Compound Name2-azido-1,5-dibromo-3-methyl-4-nitrobenzene
PubChem CID169325406
Molecular FormulaC7H4Br2N4O2
Molecular Weight335.94 g/mol
Exact Mass333.87
IUPAC Name2-azido-1,5-dibromo-3-methyl-4-nitrobenzene
SMILESCc1c(N=[N+]=[N-])c(Br)cc(Br)c1[N+](=O)[O-]
InChIInChI=1S/C7H4Br2N4O2/c1-3-6(11-12-10)4(8)2-5(9)7(3)13(14)15/h2H,1H3
InChIKeyAJRLRRFJWVHQKC-UHFFFAOYSA-N
XLogP4.37
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.94
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(4,6-dibromo-2-methyl-3-nitrophenyl)ethanimidamide
CID 169367133
2-azido-1-bromo-5-methoxy-3-nitrobenzene
CID 169324865
5-azido-4-bromo-1,1,3,3,6-pentamethyl-7-nitro-2H-indene
CID 169324859
2-azido-1,3-dibromo-5-methylsulfonylbenzene
CID 150972756
2-azido-3,5-dimethyl-4-nitropyridine
CID 58758112
1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene
CID 151071541
1-bromo-2,3,5-trimethyl-4-nitrobenzene
CID 175398096
5-bromo-2-hydroxy-4-methyl-3-nitrobenzaldehyde
CID 7172106
ethyl 2-(4-azido-3,5-dibromophenyl)acetate
CID 169325043
2,4-diazido-1,3,5-trimethylbenzene
CID 71379513
1-(3-bromo-5-hydroxy-4-nitrophenyl)ethanone
CID 171007181
3-azido-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline
CID 12895354

Frequently Asked Questions

What is the IUPAC name of 2-azido-1,5-dibromo-3-methyl-4-nitrobenzene?
The IUPAC name of 2-azido-1,5-dibromo-3-methyl-4-nitrobenzene (CID 169325406) is 2-azido-1,5-dibromo-3-methyl-4-nitrobenzene.
What is the SMILES notation for 2-azido-1,5-dibromo-3-methyl-4-nitrobenzene?
The canonical SMILES for 2-azido-1,5-dibromo-3-methyl-4-nitrobenzene is Cc1c(N=[N+]=[N-])c(Br)cc(Br)c1[N+](=O)[O-].
What is the InChIKey of 2-azido-1,5-dibromo-3-methyl-4-nitrobenzene?
The InChIKey is AJRLRRFJWVHQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N4O2/c1-3-6(11-12-10)4(8)2-5(9)7(3)13(14)15/h2H,1H3.
What are the key properties of 2-azido-1,5-dibromo-3-methyl-4-nitrobenzene?
2-azido-1,5-dibromo-3-methyl-4-nitrobenzene has a molecular weight of 335.94 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1,5-dibromo-3-methyl-4-nitrobenzene is sourced from PubChem (CID 169325406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).